Condelphine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H39NO6
Molecular Weight	449.5803
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC(C)=O)[C@](O)(C[C@@H]2OC)[C@H]4C[C@@]5([H])[C@]36[C@@H]4N(CC)C[C@]5(COC)CC[C@@H]6O

InChI

InChIKey=ZEBMMHUDQRRILP-YNLINXDKSA-N

InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19+,20-,21+,22-,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H39NO6
Molecular Weight	449.5803
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neuronal acetylcholine receptor protein alpha-7 subunit 77 Target ID: CHEMBL4980 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8941400	Binding Agent 1064		1.6 µM [IC50]

PubMed

Title	Date	PubMed
The structures of condelphine, isotalatizidine, and talatizidine.	1967 Aug 2	6045606
Antifungal diterpenoid alkaloids from Delphinium denudatum.	1997 May	9170290
Antagonist pharmacology of desensitizing and non-desensitizing nicotinic acetylcholine receptors in cockroach neurons.	2016 Sep	27514662

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:49:54 GMT 2023` Edited by `admin` on `Sat Dec 16 08:49:54 GMT 2023`
Record UNII	E55EVL23BY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Condelphine

Common Name

English

Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1α,14α,16β)-

Systematic Name

English

Kondelfin

Common Name

English

(3S,6S,7R,7aR,8S,9R,10S,11aS,14R)-1-ethyl-6,11a-dihydroxy-10-methoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-8-yl acetate

Systematic Name

English

CODELPHINE

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

231-562-7